CHEBI:4823 - ergosine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name ergosine
ChEBI ID CHEBI:4823
Definition An ergot alkaloid isolated from the fungus Epichloe typhina.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C30H37N5O5
Net Charge 0
Average Mass 547.64548
Monoisotopic Mass 547.27947
InChI InChI=1S/C30H37N5O5/c1-16(2)11-23-27(37)34-10-6-9-24(34)30(39)35(23)28(38)29(3,40-30)32-26(36)18-12-20-19-7-5-8-21-25(19)17(14-31-21)13-22(20)33(4)15-18/h5,7-8,12,14,16,18,22-24,31,39H,6,9-11,13,15H2,1-4H3,(H,32,36)/t18-,22-,23+,24+,29-,30+/m1/s1
InChIKey NESVMZOPWPCFAU-ZPRCMDFASA-N
SMILES [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N[C@]1(C)O[C@]2(O)N([C@@H](CC(C)C)C(=O)N5CCC[C@@]25[H])C1=O)c34
Metabolite of Species Details
Epichloe typhina (NCBI:txidtxid5113) See: PubMed
Roles Classification
Biological Role(s): fungal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing ergosine (CHEBI:4823) has parent hydride ergotaman (CHEBI:36185)
ergosine (CHEBI:4823) has role fungal metabolite (CHEBI:76946)
ergosine (CHEBI:4823) is a ergot alkaloid (CHEBI:23943)
IUPAC Name
(5'α)-12'-hydroxy-2'-methyl-5'-(2-methylpropyl)-3',6',18-trioxoergotaman
Synonyms Sources
(5'α)-12'-hydroxy-2'-methyl-5'-(2-methylpropyl)ergotaman-3',6',18-trione ChemIDplus
(5'α)-12'-hydroxy-5'-isobutyl-2'-methyl-3',6',18-trioxoergotaman IUPAC
Ergosine KEGG COMPOUND
Manual Xrefs Databases
C00001723 KNApSAcK
C09167 KEGG COMPOUND
Ergosine Wikipedia
View more database links
Registry Numbers Types Sources
102152 Reaxys Registry Number Reaxys
102152 Beilstein Registry Number Beilstein
561-94-4 CAS Registry Number KEGG COMPOUND
561-94-4 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
22968686 PubMed citation Europe PMC
2870157 PubMed citation Europe PMC
447932 PubMed citation Europe PMC
6895228 PubMed citation Europe PMC
Last Modified
12 February 2015